Geometry & MOs

Info

ID:	348630
PubChem CID:	127273741
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	8.9
IP(EA), eV:	-9.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzylpiperidin-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)OC2CCN(CC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations